EPR Spectra of Multispin Systems. Application to Poly-m-p-Aniline

• Authors: P. Juszyński , A. Twardowski , J. Gosk , I. Kulszewicz-Bajer , M. Pawłowski , K. Dziatkowski , J. Szczytko
• Languages of publication: EN

Abstracts

EN

In this communication we present NiceMagnetic, software for simulations and analysis of EPR spectrum and SQUID measurements. Systems of arbitrary number N of spin-only magnetic moments (S ≤ 0 and L = 0) were considered within the lines of the Heisenberg and Zeeman Hamiltonians. Effective algorithms used for the computations are discussed. This includes modified secant method adapted to calculate resonance fields with demanded precision. Finally, application of NiceMagnetic to experimental SQUID magnetization and EPR spectra of poly-m-p-aniline, one of recently synthesized high spin polymers containing unpaired electrons will be presented. As a result, exchange integral between electron and nitrogen nuclei spins (ligand hyperfine interaction) J = 6.3 × 10^{-4} cm^{-1} was estimated.

Keywords

EN

02.70.-c; 75.10.-b

Discipline

• 02.70.-c: Computational techniques; simulations(for quantum computation, see 03.67.Lx; for computational techniques extensively used in subdivisions of physics, see the appropriate section; for example, see 47.11.-j Computational methods in fluid dynamics)
• 75.10.-b: General theory and models of magnetic ordering(see also 05.50.+q Lattice theory and statistics)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2011
• Volume: 119
• Issue: 5
• Pages: 717-719

Dates

published

2011-05

Contributors

author

P. Juszyński

• Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland

author

A. Twardowski

• Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland

author

J. Gosk

• Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland
• Faculty of Physics, Warsaw University of Technology, Koszykowa 75, 00-662 Warsaw, Poland

author

I. Kulszewicz-Bajer

• Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland

author

M. Pawłowski

• Institute of Electronic Materials Technology, Wólczyńska 133, 01-919 Warsaw, Poland

author

K. Dziatkowski

• Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland

author

J. Szczytko

• Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland

References

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• 4. A. Abragam, B. Bleaney, Electron Paramagnetic Resonance of Transition Ions, Clarendon Press, Oxford 1970
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• 6. M.M. Wienk, R.A.J. Janssen, J. Am. Chem. Soc. 119, 4492 (1997)
• 7. I. Kulszewicz-Bajer, M. Zagórska, I. Wielgus, M. Pawłowski, J. Gosk, A. Twardowski, J. Phys. Chem. B 111, 32 (2007)

Identifiers

DOI

10.12693/APhysPolA.119.717